2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine

C9H19NO2 — CID 57455404

IUPAC2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCC(C)(CN)CC1(C)OCCO1
InChIInChI=1S/C9H19NO2/c1-8(2,7-10)6-9(3)11-4-5-12-9/h4-7,10H2,1-3H3
InChIKeyIYQGFLYEFXFHJC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.12
Rot. Bonds3

About 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine

2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (PubChem CID 57455404) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
PubChem CID57455404
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCC(C)(CN)CC1(C)OCCO1
InChIInChI=1S/C9H19NO2/c1-8(2,7-10)6-9(3)11-4-5-12-9/h4-7,10H2,1-3H3
InChIKeyIYQGFLYEFXFHJC-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (CID 57455404) is 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is CC(C)(CN)CC1(C)OCCO1.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The InChIKey is IYQGFLYEFXFHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,7-10)6-9(3)11-4-5-12-9/h4-7,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is sourced from PubChem (CID 57455404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).